SCHEMBL490670

SCHEMBL490670

CCOC(=O)C(C)c1c(OC)cc(OC)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
DPP4 P27487 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
USP2 O75604 1/20 0.40
HIF1A Q16665 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
HSD17B2 P37059 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL491047 0.81 MEN1 (0.44) ALDH1A1CYP3A4HPGDMAPK1HIF1A
SCHEMBL491096 0.80 HIF1A (0.46) ALDH1A1POLBMAPK1TDP1TSHR
SCHEMBL490483 0.79 SMN1; SMN2 (0.46) ALDH1A1POLBCYP3A4HPGDSMN1; SMN2
SCHEMBL490324 0.79 TDP1 (0.51) ALDH1A1CYP3A4MAPK1TDP1TSHR
SCHEMBL491023 0.79 PTGS2 (0.49) POLBCYP3A4SMN1; SMN2MAPK1TSHR
SCHEMBL490894 0.77 ALOX5 (0.51)
1,3,5-Trimethoxybenzene SCHEMBL27728377 0.77 SMN1; SMN2 (0.50) ALDH1A1POLBCYP3A4HPGDSMN1; SMN2
SCHEMBL490457 0.76 ADRA1A (0.53) MAPK1TSHRHIF1A
SCHEMBL490610 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4HPGDSMN1; SMN2MAPK1
SCHEMBL490383 0.75 MAPT (0.42) ALDH1A1POLBHPGDSMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
CN-101163659-B Antioxidants MERCK PATENT GMBH 2012-09-05 CN disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
CN-101203278-A Ultraviolet protection MERCK PATENT GMBH (DE) 2008-06-18 CN disclosed
CN-101163659-A Antioxidants MERCK PATENT GMBH (DE) 2008-04-16 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080152603-A1 Antioxidants GPX4, GPX1, CAT ALDH1A1 181/4885POLB 259/4885CYP3A4 392/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 ALDH1A1 314/4885POLB 236/4885CYP3A4 63/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.